N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C22H24N5O4S2+ MolecularWeight: 486.58706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C22H23N5O4S2/c1-31-18-9-7-17(8-10-18)27-13-12-24-22(27)32-15-21(28)25-16-4-2-5-19(14-16)33(29,30)26-20-6-3-11-23-20/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,23,26)(H,25,28)/p+1